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Structural Activity and HAD Inhibition Efficiency of Pelargonidin and Its Glucoside—A Theoretical Approach |
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| Authors: | Rangasamy Praveena Athinarayanan Balasankar Kanakaraj Aruchamy Taehwan Oh Veerababu Polisetti Subramaniyan Ramasundaram Kandasamy Anbazhakan |
| Affiliation: | 1.Department of Chemistry, Bannari Amman Institute of Technology, Sathyamangalam 638401, India;2.Department of Physics, Gobi Arts & Science College, Gobichettipalayam 638453, India;3.School of Chemical Engineering, Yeungnam University, Gyeongsan 38541, Republic of Korea;4.Wallenberg Wood Science Center, Department of Fibre and Polymer Technology, School of Engineering Sciences in Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden |
| Abstract: | |
| Keywords: | anthocyanins pelargonidin density functional theory structural activity in silico BOILED-egg analysis molecular docking MD simulations |